ethyl 5-cyano-6-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[oxo-(4-phenoxyanilino)methyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-[(4-phenoxyphenyl)carbamoyl]piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C27H24F3N5O4 MolecularWeight: 539.50577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H24F3N5O4/c1-2-38-25(36)22-16-18(17-31)24(33-23(22)27(28,29)30)34-12-14-35(15-13-34)26(37)32-19-8-10-21(11-9-19)39-20-6-4-3-5-7-20/h3-11,16H,2,12-15H2,1H3,(H,32,37)